1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; hydrogen sulfate

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; hydrogen sulfate Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; hydrogen sulfate CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; hydrogen sulfate IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; hydrogen sulfate Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6,7-dimethoxy-isoquinolin-2-ium bisulfate Formula: C20H22N2O10S MolecularWeight: 482.46108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC.OS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC.OS(=O)(=O)[O-]

InChI

InChI=1S/C20H20N2O6.H2O4S/c1-25-17-8-12-5-6-21-15(14(12)10-19(17)27-3)7-13-9-18(26-2)20(28-4)11-16(13)22(23)24;1-5(2,3)4/h5-6,8-11H,7H2,1-4H3;(H2,1,2,3,4)